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기본 정보
- CAS
149949-01-9- 표준 SMILES
CCC(C)(C)C(=O)O[C@H]1CC(C)=CC2=C[C@@H](OO)[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21- InChIKey
GORLEWXBBZEXHV-VVSCFXOTSA-N- 분자식
- C25H38O7
- 평균 분자량
- 450.572 g/mol
- 단동위원소 질량
- 450.26175356
이름 및 식별자
- 우선 이름
- (1S,6S,7R,8S,8aR)-6-Hydroperoxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- IUPAC
- (1S,6S,7R,8S,8aR)-6-Hydroperoxy-8-{2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl}-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
- 영어명
- 6(S)-Hydroperoxy Simvastatin
- 분자식
- C25H38O7
- 분자량
- 450.57
이름 및 동의어
Simvastatin Impurity 116(S)-Hydroperoxy SiMvastatin2,2-DiMethylbutanoic Acid (1S,6S,7R,8S,8aR)-1,2,6,7,8,8a-Hexahydro-6-hydroperoxy-3,7-diMethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl EsterButanoic acid, 2,2-dimethyl-, (1S,6S,7R,8S,8aR)-1,2,6,7,8,8a-hexahydro-6-hydroperoxy-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester(1S,6S,7R,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-6-methoxy-3,7-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate? (Simvastatin Impurity）
데이터베이스 식별자
- CAS
149949-01-9- PubChem CID
- 21728612
- DTXSID
DTXSID00617435
물성
물리화학적 성질
- 끓는 점
- 626.5 · 626.5±55.0 °C(Predicted)
- 밀도
- 1.18 · 1.18±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.25 · 11.25±0.70(Predicted)
화학 및 산업
응용 분야
용도6(S)-Hydroperoxy Simvastatin is the oxidative degradation product of Simvastatin (S485000).
공급사16 곳
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